6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C19H30N6O2S — CID 57398842

IUPAC6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCC2CCN(C)CC2)nc1
InChIInChI=1S/C19H30N6O2S/c1-14-19(15(2)25(4)22-14)23-28(26,27)17-5-6-18(21-13-17)20-10-7-16-8-11-24(3)12-9-16/h5-6,13,16,23H,7-12H2,1-4H3,(H,20,21)
InChIKeyZLYXHAOYNACFLW-UHFFFAOYSA-N
MW406.56 g/mol
LogP2.38
Rot. Bonds7

About 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57398842) has the molecular formula C19H30N6O2S and a molecular weight of 406.56 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57398842
Molecular FormulaC19H30N6O2S
Molecular Weight406.56 g/mol
Exact Mass406.22
IUPAC Name6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCC2CCN(C)CC2)nc1
InChIInChI=1S/C19H30N6O2S/c1-14-19(15(2)25(4)22-14)23-28(26,27)17-5-6-18(21-13-17)20-10-7-16-8-11-24(3)12-9-16/h5-6,13,16,23H,7-12H2,1-4H3,(H,20,21)
InChIKeyZLYXHAOYNACFLW-UHFFFAOYSA-N
XLogP2.38
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57398842) is 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCC2CCN(C)CC2)nc1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is ZLYXHAOYNACFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2S/c1-14-19(15(2)25(4)22-14)23-28(26,27)17-5-6-18(21-13-17)20-10-7-16-8-11-24(3)12-9-16/h5-6,13,16,23H,7-12H2,1-4H3,(H,20,21).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 406.56 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57398842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).